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Boron‐Induced Electronic‐Structure Reformation of CoP Nanoparticles Drives Enhanced pH‐Universal Hydrogen Evolution
Author(s) -
Cao Erping,
Chen Zhimin,
Wu Hao,
Yu Peng,
Wang Ying,
Xiao Fei,
Chen Shuo,
Du Shichao,
Xie Ying,
Wu Yiqun,
Ren Zhiyu
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201915254
Subject(s) - delocalized electron , catalysis , boron , dopant , desorption , hydrogen , nanotechnology , materials science , nanoparticle , electronic structure , chemical engineering , chemistry , chemical physics , adsorption , computational chemistry , doping , optoelectronics , organic chemistry , engineering
Even though transition‐metal phosphides (TMPs) have been developed as promising alternatives to Pt catalyst for the hydrogen evolution reaction (HER), further improvement of their performance requires fine regulation of the TMP sites related to their specific electronic structure. Herein, for the first time, boron (B)‐modulated electrocatalytic characteristics in CoP anchored on the carbon nanotubes (B‐CoP/CNT) with impressive HER activities over a wide pH range are reported. The HER performance surpasses commercial Pt/C in both neutral and alkaline media at large current density (>100 mA cm −2 ). A combined experimental and theoretical study identified that the B dopant could reform the local electronic configuration and atomic arrangement of bonded Co and adjacent P atoms, enhance the electrons’ delocalization capacity of Co atoms for high electrical conductivity, and optimize the free energy of H adsorption and H 2 desorption on the active sites for better HER kinetics.